1-[1-(1,3-benzodioxol-4-ylsulfonyl)piperidin-4-yl]-4-methylpiperidine

C18H26N2O4S — CID 138628016

IUPAC1-[1-(1,3-benzodioxol-4-ylsulfonyl)piperidin-4-yl]-4-methylpiperidine
SMILESCC1CCN(C2CCN(S(=O)(=O)c3cccc4c3OCO4)CC2)CC1
InChIInChI=1S/C18H26N2O4S/c1-14-5-9-19(10-6-14)15-7-11-20(12-8-15)25(21,22)17-4-2-3-16-18(17)24-13-23-16/h2-4,14-15H,5-13H2,1H3
InChIKeyDVZRQOWLJOCPJI-UHFFFAOYSA-N
MW366.48 g/mol
LogP2.30
Rot. Bonds3

About 1-[1-(1,3-benzodioxol-4-ylsulfonyl)piperidin-4-yl]-4-methylpiperidine

1-[1-(1,3-benzodioxol-4-ylsulfonyl)piperidin-4-yl]-4-methylpiperidine (PubChem CID 138628016) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is 1-[1-(1,3-benzodioxol-4-ylsulfonyl)piperidin-4-yl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[1-(1,3-benzodioxol-4-ylsulfonyl)piperidin-4-yl]-4-methylpiperidine
PubChem CID138628016
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name1-[1-(1,3-benzodioxol-4-ylsulfonyl)piperidin-4-yl]-4-methylpiperidine
SMILESCC1CCN(C2CCN(S(=O)(=O)c3cccc4c3OCO4)CC2)CC1
InChIInChI=1S/C18H26N2O4S/c1-14-5-9-19(10-6-14)15-7-11-20(12-8-15)25(21,22)17-4-2-3-16-18(17)24-13-23-16/h2-4,14-15H,5-13H2,1H3
InChIKeyDVZRQOWLJOCPJI-UHFFFAOYSA-N
XLogP2.30
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)piperidine
CID 118314265
1-[1-(4-isocyanophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 123887720
4-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylbenzonitrile
CID 118308396
4-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]morpholine
CID 11950053
1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)piperazine;hydrochloride
CID 119961717
1-[1-[4-(2-fluorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 118314270
1-(2-fluorophenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine
CID 51892276
1-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 118308435
4-methyl-1-(2-methyl-3-nitrophenyl)sulfonylpiperidine
CID 35295727
4-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]morpholine;hydrochloride
CID 141183632
4-[1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)piperidin-4-yl]pyrimidine
CID 128777201
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-benzodioxol-4-ylsulfonyl)piperidin-4-yl]-4-methylpiperidine?
The IUPAC name of 1-[1-(1,3-benzodioxol-4-ylsulfonyl)piperidin-4-yl]-4-methylpiperidine (CID 138628016) is 1-[1-(1,3-benzodioxol-4-ylsulfonyl)piperidin-4-yl]-4-methylpiperidine.
What is the SMILES notation for 1-[1-(1,3-benzodioxol-4-ylsulfonyl)piperidin-4-yl]-4-methylpiperidine?
The canonical SMILES for 1-[1-(1,3-benzodioxol-4-ylsulfonyl)piperidin-4-yl]-4-methylpiperidine is CC1CCN(C2CCN(S(=O)(=O)c3cccc4c3OCO4)CC2)CC1.
What is the InChIKey of 1-[1-(1,3-benzodioxol-4-ylsulfonyl)piperidin-4-yl]-4-methylpiperidine?
The InChIKey is DVZRQOWLJOCPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-14-5-9-19(10-6-14)15-7-11-20(12-8-15)25(21,22)17-4-2-3-16-18(17)24-13-23-16/h2-4,14-15H,5-13H2,1H3.
What are the key properties of 1-[1-(1,3-benzodioxol-4-ylsulfonyl)piperidin-4-yl]-4-methylpiperidine?
1-[1-(1,3-benzodioxol-4-ylsulfonyl)piperidin-4-yl]-4-methylpiperidine has a molecular weight of 366.48 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-benzodioxol-4-ylsulfonyl)piperidin-4-yl]-4-methylpiperidine is sourced from PubChem (CID 138628016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).